Geometry & MOs

Info

ID:	274290
PubChem CID:	103808316
Reduced:	BrOSN2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	316.0245
ΔH_f, kcal/mol:	9.61
Dipole, Da:	3.32
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CN)C(=O)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations